Vitas-M small molecule compound

Catalog ID
STK528612
SMILES CCOC(=O)c1cc(c2cccc(c2)[N+](=O)[O-])c(cc1c1ccc(cc1)OC)c1ccc(cc1)OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H25NO6 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO6/c1-4-36-29(31)28-18-27(21-6-5-7-22(16-21)30(32)33)25(19-8-12-23(34-2)13-9-19)17-26(28)20-10-14-24(35-3)15-11-20/h5-18H,4H2,1-3H3
InChIKey
CYVCSDDISWSTIO-UHFFFAOYSA-N
Synonyms
372496-81-6
372496816
CCOC(=O)C1=C(C=C(C(=C1)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
CCOC(=O)c1cc(c2cccc(c2)(N+)(=O)(O))c(cc1c1ccc(cc1)OC)c1ccc(cc1)OC
ETHYL24BIS(4METHOXYPHENYL)5(3NITROPHENYL)BENZOATE
ethyl4methoxy5(4methoxyphenyl)3nitro(1121terphenyl)4carboxylate
InChI=1SC29H25NO6c143629(31)281827(2165722(1621)30(32)33)25(1981223(342)13919)1726(28)20101424(353)151120h518H4H213H3
MFCD01219341
ZINC000002276976
ZINC02276976
ZINC2276976

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.